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3-Chloro-4-(cyclopropylcarbamoyl)phenylboronic acid - 98%, high purity , CAS No.850589-44-5

COA

Grade & Purity:

≥98%

Cas Number: 850589-44-5
Molecular Weight: 239.5
PubChem CID: 44119649

In stock

Item Number

C187071

Grouped product items
SKU	Size	Availability	Price
C187071-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
C187071-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90
C187071-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$276.90
C187071-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,243.90

Discover 3-Chloro-4-(cyclopropylcarbamoyl)phenylboronic acid by Aladdin Scientific in 98% for only $39.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	850589-44-5 \| 3-Chloro-4-(cyclopropylcarbamoyl)phenylboronic acid \| (3-Chloro-4-(cyclopropylcarbamoyl)phenyl)boronic acid \| [3-chloro-4-(cyclopropylcarbamoyl)phenyl]boronic acid \| 3-Chloro-4-(cyclopropylcarbamoyl)benzeneboronic acid \| (3-Chloro-4-(cyclopropylcarbam
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 2-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	2-halobenzoic acids and derivatives
Alternative Parents	Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Boronic acid derivative - Boronic acid - Carboxamide group - Secondary carboxylic acid amide - Organic metalloid salt - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic metalloid moeity - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[3-chloro-4-(cyclopropylcarbamoyl)phenyl]boronic acid
INCHI	InChI=1S/C10H11BClNO3/c12-9-5-6(11(15)16)1-4-8(9)10(14)13-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H,13,14)
InChIKey	TUPWHDSMIIRKLY-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)C(=O)NC2CC2)Cl)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)C(=O)NC2CC2)Cl)(O)O
Molecular Weight	239.5
Reaxy-Rn	22641735
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22641735&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	239.460 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	239.052 Da
Monoisotopic Mass	239.052 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	273.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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